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Murcko scaffold

Ring system with 4 rings and 40 atoms

29 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
40
Chemicals
29
With full pages
6
Scaffold SMILES

O=C1C=CC=CC(COC2CCCCO2)COC(=O)CCCC(OC2CCC(OC3CCCCO3)CO2)CCC1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold O=C1C=CC=CC(COC2CCCCO2)COC(=O)CCCC(OC2CCC(OC3CCCCO3)CO2)CCC1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 29 of 29 chemicals

Orb3024670 chemical structure, C44H73NO17, CAS 79404-98-1
Orb3024670
CAS 79404-98-1C44H73NO17
Macrocin chemical structure, C45H75NO17, CAS 11049-15-3
Macrocin
CAS 11049-15-3C45H75NO17
Tylosin chemical structure, C46H77NO17, CAS 1401-69-0
Tylosin
CAS 1401-69-0C46H77NO17
2-[(4R,5S,6S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-Dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde, 2-hydroxypropanoic acid chemical structure, C49H83NO20
2-[(4R,5S,6S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-Dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde, 2-hydroxypropanoic acid
C49H83NO20
3-Acetyltylosin chemical structure, C48H79NO18
3-Acetyltylosin
C48H79NO18
(2R,3R)-2,3-Dihydroxybutanedioic acid, 2-[(4R,5S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde chemical structure, C50H83NO23
(2R,3R)-2,3-Dihydroxybutanedioic acid, 2-[(4R,5S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
C50H83NO23
Relomycin chemical structure, C46H79NO17, CAS 1404-48-4
Relomycin
CAS 1404-48-4C46H79NO17
Tylosin phosphate chemical structure, C46H80NO21P, CAS 1405-53-4
Tylosin phosphate
CAS 1405-53-4C46H80NO21P
Tylvalosin chemical structure, C53H87NO19, CAS 63409-12-1
Tylvalosin
CAS 63409-12-1C53H87NO19
Tylavit-sulfa chemical structure, C78H121N5O20S, CAS 65702-93-4
Tylavit-sulfa
CAS 65702-93-4C78H121N5O20S
Tylosin lactate chemical structure, C49H83NO20, CAS 11034-63-2
Tylosin lactate
CAS 11034-63-2C49H83NO20
Tylosin 3-acetate chemical structure, C48H79NO18
Tylosin 3-acetate
C48H79NO18
Tylvalosin tartrate chemical structure, C57H93NO25, CAS 63428-13-7
Tylvalosin tartrate
CAS 63428-13-7C57H93NO25
Tylosin tartrate chemical structure, C50H83NO23, CAS 74610-55-2
Tylosin tartrate
CAS 74610-55-2C50H83NO23
(2R,3R)-2,3-Dihydroxybutanedioic acid, 2-[(4R,5S,6S,7R,9R,11Z,13Z,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde chemical structure, C50H83NO23
(2R,3R)-2,3-Dihydroxybutanedioic acid, 2-[(4R,5S,6S,7R,9R,11Z,13Z,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
C50H83NO23
Tylosin 3-acetate chemical structure, C48H79NO18, CAS 63409-10-9
Tylosin 3-acetate
CAS 63409-10-9C48H79NO18
Macrocin(1+) chemical structure, C45H76NO17+
Macrocin(1+)
C45H76NO17+
3-O-Acetyltylosin chemical structure, C48H79NO18
3-O-Acetyltylosin
C48H79NO18
Tylosin hydrochloride chemical structure, C46H78ClNO17, CAS 11032-12-5
Tylosin hydrochloride
CAS 11032-12-5C46H78ClNO17
[(4S,5R,6R,7S,9S,11E,13E,16S)-6-[(2R,5S)-5-[(2S)-4,5-Dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate chemical structure, C48H79NO18
[(4S,5R,6R,7S,9S,11E,13E,16S)-6-[(2R,5S)-5-[(2S)-4,5-Dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate
C48H79NO18
Tylosin 3-acetate chemical structure, C48H79NO18
Tylosin 3-acetate
C48H79NO18
2,3-Dihydroxybutanedioic acid, 2-[(4S,5R,7S,9S,11E,13Z,15S)-6-[(2S,3S,4S,5R,6S)-5-[(2R,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2S,3S,4S,5S,6S)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde chemical structure, C50H83NO23
2,3-Dihydroxybutanedioic acid, 2-[(4S,5R,7S,9S,11E,13Z,15S)-6-[(2S,3S,4S,5R,6S)-5-[(2R,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2S,3S,4S,5S,6S)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
C50H83NO23
Oxacyclohexadecane, tylosin deriv. chemical structure, C48H79NO18
Oxacyclohexadecane, tylosin deriv.
C48H79NO18
Tylosin tartrate powder chemical structure, C50H83NO23, CAS 1405-54-5
Tylosin tartrate powder
CAS 1405-54-5C50H83NO23